5-Methyl-2-Phenyl-1H-Imidazole-4-Acetonitrile

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Properties Simple | Detailed

Formula C12H11N3
IUPAC Name 2-(5-methyl-2-phenyl-imidazol-1-ium-5-ylium-4-yl)acetonitrile
Molecular Mass 197.236 g·mol−1
Heat of Formation 303.0 ± 16.7 kJ·mol−1
Dipole Moment 5.16 ± 1.08 D
Volume 246.56 Å 3
Surface Area 238.95 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-4-acetonitrile, 5-methyl-2-phenyl-
  • 2-(5-methyl-2-phenyl-1h-imidazol-4-yl)acetonitrile
  • 2-(5-methyl-2-phenyl-1h-imidazol-4-yl)ethanenitrile
  • 5-mehylt-2-phenyl-4-imidazolacetonitril
  • 5-methyl-2-phenylimidazole-4-acetonitrile
  • d04891
  • mcn 2378
  • mcn-2378
  • mcn-2378-46
  • mefenidil
  • mefenidil (usan)
  • mefenidilum [latin]
CAS Number(s)
  • 58261-91-9
InChIKey OTRQRKIYHATFKM-UHFFFAOYSA-N
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